#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cfe s ASN 2 N 0.00 4.67 -0.28 1.69 0.02 -1.26 -0.28 114.94 119.50 1cfe s ASN 2 Ca 0.00 -3.53 -0.25 0.00 -1.02 0.00 0.00 52.86 48.06 1cfe s ASN 2 Cb 0.00 -1.65 0.13 0.00 0.02 0.00 0.00 41.25 39.75 1cfe s ASN 2 CO 0.00 -0.14 1.06 -0.94 0.02 0.00 0.00 177.10 177.10 1cfe s SER 3 N -0.97 -0.42 0.06 -1.22 1.04 -1.26 -5.06 113.70 105.87 1cfe s SER 3 Ca 0.22 0.81 -0.23 0.00 0.48 0.00 0.00 55.95 57.23 1cfe s SER 3 Cb -0.13 0.82 -0.14 0.00 0.10 0.00 0.00 66.02 66.66 1cfe s SER 3 CO -0.10 -0.14 1.58 1.55 0.98 0.00 0.00 173.24 177.11 1cfe h PRO 4 N 4.10 0.10 -1.05 4.02 0.13 -1.98 -2.54 132.00 134.77 1cfe h PRO 4 Ca -0.28 -0.02 0.27 0.00 -0.87 0.00 0.00 66.00 65.10 1cfe h PRO 4 Cb 1.18 -0.02 -0.09 0.00 0.13 0.00 0.00 31.00 32.20 1cfe h PRO 4 CO 0.11 0.24 0.68 -0.56 -0.23 0.00 0.00 178.00 178.25 1cfe h GLN 5 N -0.07 0.36 0.13 0.86 3.07 -1.97 0.16 115.11 117.65 1cfe h GLN 5 Ca 0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 1cfe h GLN 5 Cb 0.19 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 27.67 1cfe h GLN 5 CO -0.00 0.24 -0.06 -0.44 0.09 0.00 0.00 178.83 178.65 1cfe h ASP 6 N 0.37 -0.15 0.11 0.06 5.19 -1.84 0.62 116.42 120.78 1cfe h ASP 6 Ca 0.60 -0.37 0.02 0.00 -0.62 0.00 0.00 57.03 56.66 1cfe h ASP 6 Cb 1.56 0.04 -0.04 0.00 0.18 0.00 0.00 39.33 41.07 1cfe h ASP 6 CO -0.29 0.34 -0.32 1.88 -3.12 0.00 0.00 179.24 177.72 1cfe h TYR 7 N -0.69 -0.89 -0.96 4.55 0.05 -1.30 -1.24 116.97 116.49 1cfe h TYR 7 Ca -0.02 0.02 0.20 0.00 0.05 0.00 0.00 58.73 58.98 1cfe h TYR 7 Cb 0.51 0.38 -0.09 0.00 1.01 0.00 0.00 36.73 38.54 1cfe h TYR 7 CO 0.08 -0.43 0.61 -0.07 -1.05 0.00 0.00 178.16 177.30 1cfe h LEU 8 N -0.54 0.59 0.14 3.88 3.38 -0.94 0.39 115.31 122.20 1cfe h LEU 8 Ca 0.03 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1cfe h LEU 8 Cb 0.58 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1cfe h LEU 8 CO -0.20 0.22 -0.07 0.00 0.09 0.00 0.00 178.44 178.48 1cfe h ALA 9 N 1.62 -0.19 -0.77 1.53 0.00 0.13 0.30 119.26 121.88 1cfe h ALA 9 Ca 0.53 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 1cfe h ALA 9 Cb 1.06 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1cfe h ALA 9 CO -0.27 -0.39 0.32 0.28 0.00 0.00 0.00 179.25 179.19 1cfe h VAL 10 N -0.63 1.25 -0.20 0.00 2.07 -0.88 0.24 116.25 118.10 1cfe h VAL 10 Ca -0.02 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 66.76 1cfe h VAL 10 Cb 0.47 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1cfe h VAL 10 CO 0.03 0.32 -0.04 0.45 0.02 0.00 0.00 177.57 178.35 1cfe h HIS 11 N 1.10 -0.08 -0.65 1.57 -0.00 -0.85 -0.45 115.15 115.78 1cfe h HIS 11 Ca 0.26 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.61 1cfe h HIS 11 Cb 0.19 0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.64 1cfe h HIS 11 CO 0.02 -0.07 0.26 -0.91 -0.00 0.00 0.00 177.93 177.22 1cfe h ASN 12 N 0.02 0.88 0.12 2.45 2.35 0.10 -1.58 115.58 119.91 1cfe h ASN 12 Ca 0.10 -0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1cfe h ASN 12 Cb 0.14 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.24 1cfe h ASN 12 CO -0.20 0.79 -0.53 -0.78 -1.65 0.00 0.00 177.43 175.06 1cfe h ASP 13 N 0.94 -1.60 -0.42 5.81 3.58 0.17 0.43 116.42 125.34 1cfe h ASP 13 Ca 0.22 0.17 0.08 0.00 0.42 0.00 0.00 57.03 57.92 1cfe h ASP 13 Cb 0.19 0.59 -0.08 0.00 1.72 0.00 0.00 39.33 41.74 1cfe h ASP 13 CO -0.02 -0.56 -0.12 0.00 -2.88 0.00 0.00 179.24 175.66 1cfe h ALA 14 N -0.55 0.25 -0.47 -0.78 0.00 -0.90 0.24 119.26 117.06 1cfe h ALA 14 Ca -0.01 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1cfe h ALA 14 Cb 0.76 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1cfe h ALA 14 CO -0.29 -0.47 0.10 0.00 0.00 0.00 0.00 179.25 178.60 1cfe h ARG 15 N -0.02 0.71 -0.54 0.00 3.08 -0.90 -1.52 114.38 115.18 1cfe h ARG 15 Ca 0.20 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 60.12 1cfe h ARG 15 Cb 0.33 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1cfe h ARG 15 CO -0.44 0.66 0.36 0.00 -1.07 0.00 0.00 179.97 179.47 1cfe h ALA 16 N 1.43 0.69 -0.25 0.04 0.00 0.85 0.25 119.26 122.26 1cfe h ALA 16 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1cfe h ALA 16 Cb 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1cfe h ALA 16 CO -0.00 0.12 0.16 1.96 0.00 0.00 0.00 179.25 181.49 1cfe h GLN 17 N 0.73 0.34 0.02 0.00 4.20 0.06 -2.63 115.11 117.82 1cfe h GLN 17 Ca 0.20 -0.02 -0.33 0.00 0.06 0.00 0.00 58.65 58.56 1cfe h GLN 17 Cb -0.07 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.58 1cfe h GLN 17 CO -0.05 0.23 -2.01 1.33 -0.67 0.00 0.00 178.83 177.66 1cfe n VAL 18 N -4.49 1.56 -0.90 -0.54 0.24 -1.04 -5.00 118.33 108.16 1cfe n VAL 18 Ca 0.01 -0.78 0.00 0.00 -2.04 0.00 0.00 64.34 61.53 1cfe n VAL 18 Cb 0.08 -1.00 0.00 0.00 -1.47 0.00 0.00 33.84 31.44 1cfe n VAL 18 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1cfe n GLY 19 N 1.73 0.46 3.32 7.63 0.00 0.61 -4.99 105.19 113.96 1cfe n GLY 19 Ca -0.26 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 1cfe n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cfe s VAL 20 N -2.60 1.85 0.35 1.61 1.01 0.35 -5.02 120.40 117.95 1cfe s VAL 20 Ca 0.00 -1.75 -0.06 0.00 0.00 0.00 0.00 61.98 60.17 1cfe s VAL 20 Cb 0.00 -1.75 0.08 0.00 0.00 0.00 0.00 36.38 34.71 1cfe s VAL 20 CO 0.00 -0.15 0.46 0.61 0.00 0.00 0.00 175.10 176.02 1cfe n GLY 21 N 0.69 -1.37 3.92 4.51 0.00 -1.26 -4.15 105.19 107.54 1cfe n GLY 21 Ca -0.16 -1.67 -0.28 0.00 0.00 0.00 0.00 46.02 43.91 1cfe n GLY 21 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cfe s PRO 22 N -4.01 1.64 -0.01 1.61 0.04 -1.26 -4.93 135.00 128.09 1cfe s PRO 22 Ca 0.26 -0.23 -0.20 0.00 0.04 0.00 0.00 61.00 60.87 1cfe s PRO 22 Cb -0.01 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.56 1cfe s PRO 22 CO 0.19 -1.71 0.43 0.00 0.04 0.00 0.00 177.00 175.94 1cfe s MET 23 N -5.54 0.83 0.55 4.56 0.23 -1.26 -4.85 119.30 113.82 1cfe s MET 23 Ca 0.65 -0.13 0.07 0.00 -1.03 0.00 0.00 55.69 55.25 1cfe s MET 23 Cb -0.08 0.38 0.06 0.00 -1.53 0.00 0.00 34.83 33.65 1cfe s MET 23 CO 0.49 -0.25 0.75 -1.54 -2.03 0.00 0.00 175.02 172.43 1cfe s SER 24 N -1.47 5.18 0.52 -1.18 1.04 -0.93 -4.89 113.70 111.97 1cfe s SER 24 Ca -0.11 -0.56 -0.18 0.00 0.48 0.00 0.00 55.95 55.58 1cfe s SER 24 Cb -0.03 -0.16 -0.07 0.00 0.10 0.00 0.00 66.02 65.86 1cfe s SER 24 CO 0.04 -1.22 1.01 0.86 0.98 0.00 0.00 173.24 174.91 1cfe s TRP 25 N -2.65 3.24 -0.39 5.02 -0.11 -1.26 -2.22 118.94 120.57 1cfe s TRP 25 Ca 0.60 1.52 0.01 0.00 1.22 0.00 0.00 56.10 59.45 1cfe s TRP 25 Cb -0.07 -2.90 0.13 0.00 -1.50 0.00 0.00 33.47 29.12 1cfe s TRP 25 CO 0.38 -0.59 0.19 0.16 -4.62 0.00 0.00 176.95 172.47 1cfe s ASP 26 N -2.68 3.64 0.56 5.86 1.47 -1.24 -4.85 116.67 119.44 1cfe s ASP 26 Ca 0.62 -2.27 0.30 0.00 1.18 0.00 0.00 52.55 52.38 1cfe s ASP 26 Cb -0.12 -0.88 1.69 0.00 -0.34 0.00 0.00 42.92 43.27 1cfe s ASP 26 CO 0.28 -0.32 2.17 0.00 0.68 0.00 0.00 175.17 177.98 1cfe h ALA 27 N 7.17 1.34 -0.53 2.11 0.00 -1.97 0.17 119.26 127.55 1cfe h ALA 27 Ca -0.03 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1cfe h ALA 27 Cb 0.96 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1cfe h ALA 27 CO 0.44 0.07 0.11 -0.91 0.00 0.00 0.00 179.25 178.96 1cfe h ASN 28 N 0.00 0.83 0.37 0.00 4.21 -1.99 0.33 115.58 119.33 1cfe h ASN 28 Ca -0.00 -0.25 -0.28 0.00 1.21 0.00 0.00 56.30 56.98 1cfe h ASN 28 Cb 0.18 -0.22 0.02 0.00 -1.12 0.00 0.00 38.32 37.17 1cfe h ASN 28 CO 0.01 0.86 -1.22 -0.07 -1.29 0.00 0.00 177.43 175.72 1cfe h LEU 29 N 0.76 0.65 -0.58 1.61 3.38 -1.16 -1.97 115.31 118.00 1cfe h LEU 29 Ca 0.16 -0.62 0.10 0.00 0.09 0.00 0.00 57.88 57.61 1cfe h LEU 29 Cb 0.37 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 1cfe h LEU 29 CO 0.01 1.46 0.18 0.00 0.09 0.00 0.00 178.44 180.18 1cfe h ALA 30 N 0.47 0.72 -0.46 1.53 0.00 -0.89 0.13 119.26 120.76 1cfe h ALA 30 Ca -0.16 0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1cfe h ALA 30 Cb 1.90 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.74 1cfe h ALA 30 CO 0.22 -0.24 0.20 0.66 0.00 0.00 0.00 179.25 180.09 1cfe h SER 31 N 0.34 0.26 -0.40 0.00 4.64 -0.81 0.92 113.55 118.51 1cfe h SER 31 Ca 0.30 0.04 0.08 0.00 -0.47 0.00 0.00 61.79 61.73 1cfe h SER 31 Cb 0.39 -0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 62.40 1cfe h SER 31 CO -0.33 0.19 -0.06 -0.09 -0.87 0.00 0.00 176.83 175.67 1cfe h ARG 32 N 0.40 0.04 -0.69 4.77 9.65 -0.44 0.11 114.38 128.21 1cfe h ARG 32 Ca 0.21 -0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 59.02 1cfe h ARG 32 Cb 0.16 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.70 1cfe h ARG 32 CO -0.18 0.02 0.17 0.00 2.80 0.00 0.00 179.97 182.79 1cfe h ALA 33 N 1.38 1.00 -0.56 2.80 0.00 -0.22 0.50 119.26 124.15 1cfe h ALA 33 Ca 0.19 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1cfe h ALA 33 Cb 0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1cfe h ALA 33 CO -0.38 0.65 0.25 0.37 0.00 0.00 0.00 179.25 180.15 1cfe h GLN 34 N 1.04 0.83 -0.74 0.00 5.75 0.05 0.20 115.11 122.24 1cfe h GLN 34 Ca 0.22 -0.14 0.12 0.00 -0.15 0.00 0.00 58.65 58.70 1cfe h GLN 34 Cb 0.36 -0.14 -0.08 0.00 1.07 0.00 0.00 27.48 28.68 1cfe h GLN 34 CO 0.00 0.70 0.33 -0.91 -2.65 0.00 0.00 178.83 176.29 1cfe h ASN 35 N 0.77 0.36 0.78 -0.69 4.21 -0.48 0.73 115.58 121.26 1cfe h ASN 35 Ca 0.19 0.09 -0.04 0.00 1.21 0.00 0.00 56.30 57.75 1cfe h ASN 35 Cb 0.16 0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.40 1cfe h ASN 35 CO -0.02 0.17 -0.43 0.22 -1.29 0.00 0.00 177.43 176.08 1cfe h TYR 36 N 0.51 -1.14 -0.97 1.19 5.03 0.27 0.34 116.97 122.20 1cfe h TYR 36 Ca 0.39 -0.02 0.11 0.00 2.58 0.00 0.00 58.73 61.79 1cfe h TYR 36 Cb 0.52 0.39 -0.08 0.00 1.55 0.00 0.00 36.73 39.11 1cfe h TYR 36 CO -0.14 -0.66 0.61 0.00 -1.32 0.00 0.00 178.16 176.65 1cfe h ALA 37 N -1.34 1.43 0.39 1.82 0.00 -0.86 0.62 119.26 121.32 1cfe h ALA 37 Ca -0.11 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1cfe h ALA 37 Cb 0.88 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1cfe h ALA 37 CO 0.14 0.24 -0.19 -0.91 0.00 0.00 0.00 179.25 178.53 1cfe h ASN 38 N 0.99 -0.44 -0.89 0.00 2.35 -0.79 -2.93 115.58 113.87 1cfe h ASN 38 Ca 0.47 -0.06 0.01 0.00 -0.55 0.00 0.00 56.30 56.17 1cfe h ASN 38 Cb 0.41 0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.85 1cfe h ASN 38 CO -0.25 -0.21 0.59 0.77 -1.65 0.00 0.00 177.43 176.69 1cfe h SER 39 N -0.66 1.02 -2.29 5.81 4.64 0.20 -2.86 113.55 119.41 1cfe h SER 39 Ca -0.05 -0.03 -0.80 0.00 -0.47 0.00 0.00 61.79 60.44 1cfe h SER 39 Cb 0.48 -0.25 -0.25 0.00 -0.31 0.00 0.00 62.40 62.06 1cfe h SER 39 CO 0.09 0.74 1.18 0.54 -0.87 0.00 0.00 176.83 178.50 1cfe n ARG 40 N -4.47 4.91 -0.07 4.77 5.12 0.10 -4.40 116.66 122.62 1cfe n ARG 40 Ca 0.10 -4.42 -0.09 0.00 -1.93 0.00 0.00 57.85 51.51 1cfe n ARG 40 Cb 0.02 -2.53 -0.09 0.00 -1.16 0.00 0.00 32.46 28.69 1cfe n ARG 40 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1cfe n ALA 41 N 0.88 1.66 -0.37 7.54 0.00 -1.08 -3.04 120.51 126.09 1cfe n ALA 41 Ca 0.41 -0.79 -0.01 0.00 0.00 0.00 0.00 53.44 53.05 1cfe n ALA 41 Cb 0.29 0.05 0.13 0.00 0.00 0.00 0.00 19.45 19.91 1cfe n ALA 41 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1cfe h GLY 42 N 1.91 1.42 0.00 0.00 0.00 -1.83 -1.87 103.07 102.70 1cfe h GLY 42 Ca -0.36 -0.52 -0.14 0.00 0.00 0.00 0.00 47.33 46.31 1cfe h GLY 42 CO -0.02 0.49 -1.49 1.22 0.00 0.00 0.00 176.54 176.73 1cfe n ASP 43 N -4.40 1.71 -3.91 0.19 8.00 -1.26 -4.66 116.55 112.22 1cfe n ASP 43 Ca 0.12 0.05 -0.28 0.00 0.71 0.00 0.00 54.79 55.39 1cfe n ASP 43 Cb 0.04 -0.21 -0.01 0.00 -0.02 0.00 0.00 41.12 40.92 1cfe n ASP 43 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cfe s ASN 45 N -4.13 3.68 -0.62 0.00 0.01 -1.26 -4.23 114.94 108.39 1cfe s ASN 45 Ca 0.13 -0.33 -0.07 0.00 -0.71 0.00 0.00 52.86 51.87 1cfe s ASN 45 Cb -0.05 -0.98 -0.20 0.00 0.41 0.00 0.00 41.25 40.43 1cfe s ASN 45 CO 0.89 0.28 3.34 0.18 -1.51 0.00 0.00 177.10 180.27 1cfe n LEU 46 N 2.77 6.53 -0.05 0.60 4.77 -1.26 -4.50 117.00 125.86 1cfe n LEU 46 Ca -0.17 -3.60 -0.02 0.00 -0.03 0.00 0.00 56.01 52.19 1cfe n LEU 46 Cb 0.52 -1.46 -0.01 0.00 -2.33 0.00 0.00 43.42 40.15 1cfe n LEU 46 CO 0.26 1.81 -0.12 0.40 -1.33 0.00 0.00 177.39 178.41 1cfe h ILE 47 N 2.40 0.00 -3.41 -0.08 2.04 -2.00 -3.48 117.51 112.98 1cfe h ILE 47 Ca 0.45 -0.90 -0.45 0.00 1.00 0.00 0.00 64.86 64.97 1cfe h ILE 47 Cb 1.03 0.00 0.20 0.00 -0.74 0.00 0.00 36.82 37.31 1cfe h ILE 47 CO 0.83 0.00 0.05 -1.00 0.00 0.00 0.00 178.15 178.03 1cfe s HIS 48 N -1.74 1.45 0.00 1.37 3.76 -1.26 -4.83 115.29 114.04 1cfe s HIS 48 Ca -0.05 1.21 0.00 0.00 -0.15 0.00 0.00 55.06 56.06 1cfe s HIS 48 Cb 0.01 -3.13 0.00 0.00 1.11 0.00 0.00 32.58 30.57 1cfe s HIS 48 CO 0.08 -3.70 0.00 -1.13 -0.85 0.00 0.00 174.74 169.14 1cfe n SER 49 N -4.80 0.00 0.34 1.40 3.41 -1.26 -4.73 113.62 107.99 1cfe n SER 49 Ca 0.04 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.51 1cfe n SER 49 Cb 0.54 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.43 1cfe n SER 49 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1cfe h GLY 50 N 0.00 -0.99 -3.76 5.00 0.00 -1.90 -3.46 103.07 97.97 1cfe h GLY 50 Ca 0.00 0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.64 1cfe h GLY 50 CO 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 176.54 176.21 1cfe s ALA 51 N -5.02 -1.31 -0.19 3.60 0.00 -1.26 -4.78 121.76 112.80 1cfe s ALA 51 Ca -0.13 0.63 -0.00 0.00 0.00 0.00 0.00 51.96 52.46 1cfe s ALA 51 Cb 0.02 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1cfe s ALA 51 CO 0.41 -0.47 0.02 0.41 0.00 0.00 0.00 175.76 176.13 1cfe n GLY 52 N 0.54 0.36 3.45 0.00 0.00 0.41 -4.66 105.19 105.29 1cfe n GLY 52 Ca -0.19 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 1cfe n GLY 52 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cfe s GLU 53 N -4.28 1.28 0.00 1.61 2.12 -1.26 -2.17 118.70 116.00 1cfe s GLU 53 Ca 0.01 -0.71 -0.11 0.00 0.36 0.00 0.00 54.97 54.52 1cfe s GLU 53 Cb -0.00 0.53 0.01 0.00 0.26 0.00 0.00 34.13 34.93 1cfe s GLU 53 CO 0.01 -0.54 0.22 -0.80 -0.54 0.00 0.00 175.26 173.61 1cfe s ASN 54 N -2.82 -0.06 0.12 -1.70 0.01 0.26 -4.76 114.94 105.99 1cfe s ASN 54 Ca 0.05 -0.13 0.04 0.00 -0.71 0.00 0.00 52.86 52.12 1cfe s ASN 54 Cb -0.00 0.26 -0.04 0.00 0.41 0.00 0.00 41.25 41.88 1cfe s ASN 54 CO -0.08 -0.44 -0.10 -0.76 -1.51 0.00 0.00 177.10 174.21 1cfe s LEU 55 N -1.51 2.46 0.05 0.60 1.43 -1.26 -0.53 118.68 119.92 1cfe s LEU 55 Ca -0.12 -0.90 -0.15 0.00 -1.03 0.00 0.00 54.13 51.93 1cfe s LEU 55 Cb -0.05 -0.32 0.02 0.00 0.03 0.00 0.00 46.19 45.87 1cfe s LEU 55 CO 0.02 -0.29 0.33 0.00 0.23 0.00 0.00 176.35 176.63 1cfe s ALA 56 N -2.83 -0.75 0.32 4.21 0.00 0.23 -4.94 121.76 118.00 1cfe s ALA 56 Ca 0.10 0.03 0.08 0.00 0.00 0.00 0.00 51.96 52.18 1cfe s ALA 56 Cb -0.00 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 1cfe s ALA 56 CO 0.00 -0.45 0.18 -1.59 0.00 0.00 0.00 175.76 173.90 1cfe s LYS 57 N -2.72 2.57 0.00 0.00 -2.85 -1.26 -0.72 119.74 114.75 1cfe s LYS 57 Ca -0.04 -1.37 0.00 0.00 -1.00 0.00 0.00 55.97 53.56 1cfe s LYS 57 Cb -0.00 -2.33 0.00 0.00 -2.06 0.00 0.00 37.83 33.43 1cfe s LYS 57 CO -0.04 0.18 0.00 0.41 0.10 0.00 0.00 175.35 176.00 1cfe n GLY 58 N -1.20 5.15 0.00 0.59 0.00 -0.77 -4.88 105.19 104.09 1cfe n GLY 58 Ca -0.04 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1cfe n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cfe n GLY 59 N 0.00 -0.59 3.73 -0.02 0.00 -1.26 -4.38 105.19 102.68 1cfe n GLY 59 Ca 0.00 0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 1cfe n GLY 59 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cfe s GLY 60 N 0.00 2.96 0.00 -0.02 0.00 -1.26 -4.66 107.32 104.34 1cfe s GLY 60 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.34 1cfe s GLY 60 CO 0.00 1.51 0.00 2.09 0.00 0.00 0.00 173.10 176.70 1cfe n ASP 61 N 2.78 -0.53 -4.68 1.64 5.75 -1.26 -4.77 116.55 115.48 1cfe n ASP 61 Ca 0.03 0.26 -0.42 0.00 -0.01 0.00 0.00 54.79 54.65 1cfe n ASP 61 Cb 0.49 -0.63 -0.03 0.00 -1.03 0.00 0.00 41.12 39.92 1cfe n ASP 61 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1cfe s PHE 62 N -1.26 2.75 0.16 2.11 5.36 -1.26 -4.95 117.98 120.89 1cfe s PHE 62 Ca 0.00 0.74 -0.12 0.00 -0.96 0.00 0.00 56.93 56.59 1cfe s PHE 62 Cb 0.00 -3.70 -0.07 0.00 -0.34 0.00 0.00 43.02 38.92 1cfe s PHE 62 CO 0.00 -2.62 0.53 0.95 -1.46 0.00 0.00 175.22 172.62 1cfe s THR 63 N 2.61 4.91 0.42 0.12 -4.23 -1.26 -4.96 115.64 113.26 1cfe s THR 63 Ca 0.65 0.66 0.08 0.00 -1.18 0.00 0.00 61.69 61.90 1cfe s THR 63 Cb -0.32 -3.69 0.26 0.00 1.34 0.00 0.00 72.50 70.10 1cfe s THR 63 CO 0.26 0.15 2.06 1.23 -0.54 0.00 0.00 174.62 177.78 1cfe h GLY 64 N 3.26 0.49 -0.16 3.99 0.00 -1.01 -1.72 103.07 107.91 1cfe h GLY 64 Ca -0.48 -0.19 0.05 0.00 0.00 0.00 0.00 47.33 46.71 1cfe h GLY 64 CO 0.67 0.19 -0.44 -0.09 0.00 0.00 0.00 176.54 176.86 1cfe h ARG 65 N 0.47 -0.40 -0.62 4.80 2.43 -1.87 -0.07 114.38 119.11 1cfe h ARG 65 Ca 0.12 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1cfe h ARG 65 Cb -0.02 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 1cfe h ARG 65 CO -0.02 -0.27 0.36 0.00 -1.51 0.00 0.00 179.97 178.53 1cfe h ALA 66 N 0.22 1.46 -0.17 2.80 0.00 -1.75 -0.61 119.26 121.21 1cfe h ALA 66 Ca 0.10 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1cfe h ALA 66 Cb 0.61 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1cfe h ALA 66 CO -0.49 0.46 0.06 0.00 0.00 0.00 0.00 179.25 179.28 1cfe h ALA 67 N 1.54 0.19 -0.63 0.00 0.00 -0.38 0.27 119.26 120.24 1cfe h ALA 67 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1cfe h ALA 67 Cb -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1cfe h ALA 67 CO -0.04 -0.37 0.41 0.28 0.00 0.00 0.00 179.25 179.53 1cfe h VAL 68 N 0.15 1.17 -0.21 0.00 2.07 -0.49 -0.85 116.25 118.08 1cfe h VAL 68 Ca 0.07 -0.33 0.06 0.00 0.82 0.00 0.00 66.70 67.32 1cfe h VAL 68 Cb 0.04 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1cfe h VAL 68 CO -0.07 0.17 0.19 1.56 0.02 0.00 0.00 177.57 179.44 1cfe h GLN 69 N 0.86 0.00 -0.18 1.57 1.08 -0.54 0.22 115.11 118.12 1cfe h GLN 69 Ca 0.23 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.40 1cfe h GLN 69 Cb -0.08 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 1cfe h GLN 69 CO -0.05 0.00 -0.01 1.25 -0.95 0.00 0.00 178.83 179.07 1cfe h LEU 70 N 0.00 0.33 -1.03 1.46 5.85 0.95 -1.87 115.31 121.00 1cfe h LEU 70 Ca 0.10 -0.33 -0.10 0.00 0.84 0.00 0.00 57.88 58.39 1cfe h LEU 70 Cb 0.48 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1cfe h LEU 70 CO -0.00 0.58 -0.39 -0.50 -0.34 0.00 0.00 178.44 177.79 1cfe h TRP 71 N 0.07 0.22 -0.00 1.25 6.55 -0.26 -0.60 115.95 123.18 1cfe h TRP 71 Ca 0.05 -0.05 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1cfe h TRP 71 Cb 0.42 -0.05 0.00 0.00 -0.86 0.00 0.00 29.16 28.67 1cfe h TRP 71 CO 0.04 0.55 -0.02 0.28 -1.05 0.00 0.00 178.44 178.25 1cfe n VAL 72 N -4.05 0.00 -0.22 1.49 0.31 0.50 -1.40 118.33 114.96 1cfe n VAL 72 Ca -0.01 -0.03 0.20 0.00 -0.01 0.00 0.00 64.34 64.49 1cfe n VAL 72 Cb 0.45 -0.37 0.55 0.00 -0.91 0.00 0.00 33.84 33.56 1cfe n VAL 72 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1cfe h SER 73 N 0.25 0.34 0.00 4.52 0.87 -0.23 -2.28 113.55 117.02 1cfe h SER 73 Ca 0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1cfe h SER 73 Cb 0.17 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1cfe h SER 73 CO 0.00 0.14 0.00 -0.62 -0.53 0.00 0.00 176.83 175.82 1cfe n GLU 74 N -4.47 0.09 -0.35 2.24 -0.58 -1.25 -4.04 120.64 112.27 1cfe n GLU 74 Ca 0.18 0.00 0.24 0.00 -0.42 0.00 0.00 57.16 57.17 1cfe n GLU 74 Cb 0.71 -1.30 0.50 0.00 -0.57 0.00 0.00 31.44 30.79 1cfe n GLU 74 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1cfe h ARG 75 N 0.00 0.35 -0.91 3.49 2.43 -1.70 0.19 114.38 118.23 1cfe h ARG 75 Ca 0.00 -0.02 0.24 0.00 -0.81 0.00 0.00 59.98 59.39 1cfe h ARG 75 Cb 0.00 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.42 1cfe h ARG 75 CO 0.00 0.23 0.63 -1.35 -1.51 0.00 0.00 179.97 177.97 1cfe h PRO 76 N 0.36 0.14 0.00 0.20 0.11 -1.89 -2.13 132.00 128.78 1cfe h PRO 76 Ca 0.68 -0.01 -0.29 0.00 0.11 0.00 0.00 66.00 66.50 1cfe h PRO 76 Cb 1.68 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.71 1cfe h PRO 76 CO -0.44 0.09 -2.18 -1.13 -0.21 0.00 0.00 178.00 174.13 1cfe n SER 77 N -4.36 0.16 -4.65 -2.05 3.41 0.44 -4.94 113.62 101.64 1cfe n SER 77 Ca 0.19 0.07 -0.42 0.00 -0.26 0.00 0.00 58.87 58.46 1cfe n SER 77 Cb 0.88 0.98 -0.03 0.00 -0.26 0.00 0.00 64.21 65.77 1cfe n SER 77 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1cfe s TYR 78 N -2.70 3.32 -0.13 7.33 5.04 0.05 -2.75 117.35 127.52 1cfe s TYR 78 Ca -0.09 1.25 -0.10 0.00 -2.44 0.00 0.00 57.07 55.69 1cfe s TYR 78 Cb 0.08 -3.12 0.04 0.00 0.35 0.00 0.00 41.96 39.30 1cfe s TYR 78 CO 0.84 -0.42 0.34 1.21 -1.34 0.00 0.00 175.55 176.18 1cfe s ASN 79 N 1.29 -0.37 0.00 4.32 3.84 -1.26 -4.75 114.94 118.01 1cfe s ASN 79 Ca 0.38 0.70 0.00 0.00 0.21 0.00 0.00 52.86 54.15 1cfe s ASN 79 Cb -0.15 0.67 0.00 0.00 -0.55 0.00 0.00 41.25 41.22 1cfe s ASN 79 CO 0.07 -0.14 0.00 0.00 -2.79 0.00 0.00 177.10 174.24 1cfe n TYR 80 N 3.34 0.00 0.00 0.43 9.36 -1.26 -3.65 117.16 125.37 1cfe n TYR 80 Ca -0.17 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.05 1cfe n TYR 80 Cb 0.57 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.28 1cfe n TYR 80 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1cfe n ALA 81 N -3.00 0.00 -0.03 2.98 0.00 -1.26 -3.10 120.51 116.10 1cfe n ALA 81 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cfe n ALA 81 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1cfe n ALA 81 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1cfe n THR 82 N 0.00 0.43 -1.48 0.00 -2.24 -1.26 -5.08 114.28 104.65 1cfe n THR 82 Ca 0.00 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1cfe n THR 82 Cb 0.00 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 1cfe n THR 82 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1cfe n ASN 83 N -2.20 -1.97 -3.47 3.42 2.85 -1.18 -5.15 115.26 107.57 1cfe n ASN 83 Ca -0.11 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.26 1cfe n ASN 83 Cb 0.62 -0.99 -0.02 0.00 1.24 0.00 0.00 39.78 40.64 1cfe n ASN 83 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1cfe s GLN 84 N -0.20 1.91 -0.38 1.20 -2.07 -1.24 -5.04 119.66 113.83 1cfe s GLN 84 Ca 0.00 -1.33 0.06 0.00 -1.82 0.00 0.00 55.36 52.26 1cfe s GLN 84 Cb 0.00 0.56 0.44 0.00 -1.09 0.00 0.00 33.01 32.91 1cfe s GLN 84 CO 0.00 -0.85 1.18 0.00 -1.32 0.00 0.00 175.29 174.30 1cfe n VAL 86 N -0.59 0.00 -0.52 0.00 0.31 -1.11 -3.71 118.33 112.71 1cfe n VAL 86 Ca 0.42 0.24 -0.03 0.00 -0.01 0.00 0.00 64.34 64.96 1cfe n VAL 86 Cb 0.79 -0.69 -0.04 0.00 -0.91 0.00 0.00 33.84 32.99 1cfe n VAL 86 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1cfe n GLY 87 N -4.05 2.29 3.07 2.92 0.00 -1.26 -4.77 105.19 103.39 1cfe n GLY 87 Ca -0.01 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 1cfe n GLY 87 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cfe s GLY 88 N 2.04 1.87 0.79 -0.02 0.00 -1.24 -5.10 107.32 105.66 1cfe s GLY 88 Ca 0.14 -2.29 -0.11 0.00 0.00 0.00 0.00 44.72 42.46 1cfe s GLY 88 CO 0.00 0.86 1.09 0.54 0.00 0.00 0.00 173.10 175.59 1cfe s LYS 89 N 1.03 2.15 -0.91 2.90 3.01 -1.26 -4.14 119.74 122.53 1cfe s LYS 89 Ca 0.04 0.73 -0.05 0.00 -1.01 0.00 0.00 55.97 55.68 1cfe s LYS 89 Cb -0.20 -1.92 -0.03 0.00 -1.01 0.00 0.00 37.83 34.67 1cfe s LYS 89 CO -0.06 -1.59 0.80 1.63 0.51 0.00 0.00 175.35 176.64 1cfe n LYS 90 N -3.43 -1.70 -0.17 1.68 5.02 -1.26 -4.96 118.16 113.33 1cfe n LYS 90 Ca 0.07 1.09 0.06 0.00 -2.02 0.00 0.00 58.31 57.51 1cfe n LYS 90 Cb 0.56 -5.45 0.15 0.00 -0.02 0.00 0.00 35.03 30.27 1cfe n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cfe n ARG 92 N 0.60 3.92 0.18 0.00 3.00 -1.26 -3.66 116.66 119.43 1cfe n ARG 92 Ca 0.12 -2.53 0.00 0.00 -0.00 0.00 0.00 57.85 55.44 1cfe n ARG 92 Cb 0.43 -2.73 0.00 0.00 0.00 0.00 0.00 32.46 30.16 1cfe n ARG 92 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1cfe n HIS 93 N 3.02 -3.88 -0.26 -0.14 8.25 -1.26 -4.95 115.22 116.00 1cfe n HIS 93 Ca 0.74 1.14 0.07 0.00 -0.26 0.00 0.00 57.72 59.40 1cfe n HIS 93 Cb 0.25 2.83 0.20 0.00 1.12 0.00 0.00 29.99 34.40 1cfe n HIS 93 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1cfe h TYR 94 N 0.00 0.39 -0.76 4.41 3.20 -1.30 0.25 116.97 123.16 1cfe h TYR 94 Ca 0.00 0.04 0.22 0.00 3.14 0.00 0.00 58.73 62.13 1cfe h TYR 94 Cb 0.00 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 1cfe h TYR 94 CO 0.00 -0.04 0.56 1.79 -1.64 0.00 0.00 178.16 178.83 1cfe h THR 95 N 0.33 0.58 0.01 1.81 1.35 -1.87 0.20 112.91 115.33 1cfe h THR 95 Ca 0.44 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 66.06 1cfe h THR 95 Cb 0.75 0.60 0.02 0.00 -1.73 0.00 0.00 68.15 67.79 1cfe h THR 95 CO -0.49 0.00 -0.95 1.56 -0.25 0.00 0.00 175.52 175.39 1cfe h GLN 96 N 0.00 0.62 -0.80 4.72 1.08 -1.29 -1.01 115.11 118.43 1cfe h GLN 96 Ca 0.36 -0.68 0.04 0.00 -1.45 0.00 0.00 58.65 56.92 1cfe h GLN 96 Cb 1.49 0.20 -0.05 0.00 -0.05 0.00 0.00 27.48 29.06 1cfe h GLN 96 CO -0.00 1.28 0.50 0.28 -0.95 0.00 0.00 178.83 179.94 1cfe h VAL 97 N 0.25 1.09 0.00 -0.54 2.07 -0.58 -2.42 116.25 116.13 1cfe h VAL 97 Ca -0.12 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1cfe h VAL 97 Cb 1.62 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1cfe h VAL 97 CO 0.19 0.18 -0.34 1.62 0.02 0.00 0.00 177.57 179.23 1cfe h VAL 98 N 0.96 0.00 0.00 2.57 3.04 -1.21 -3.45 116.25 118.17 1cfe h VAL 98 Ca 0.33 -0.71 -0.44 0.00 -1.01 0.00 0.00 66.70 64.86 1cfe h VAL 98 Cb 0.06 1.51 -0.05 0.00 -2.01 0.00 0.00 31.29 30.80 1cfe h VAL 98 CO -0.13 0.00 1.07 1.87 -1.01 0.00 0.00 177.57 179.37 1cfe n TRP 99 N -2.52 0.60 -0.29 3.17 -0.00 -0.38 -4.83 117.44 113.19 1cfe n TRP 99 Ca 0.04 0.40 -0.07 0.00 -0.00 0.00 0.00 57.50 57.86 1cfe n TRP 99 Cb 0.48 -1.63 -0.03 0.00 -0.00 0.00 0.00 31.31 30.13 1cfe n TRP 99 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 177.69 177.60 1cfe h ARG 100 N 7.32 -0.13 -2.28 5.87 1.12 -1.09 -2.33 114.38 122.86 1cfe h ARG 100 Ca -0.05 0.01 -0.45 0.00 -1.11 0.00 0.00 59.98 58.38 1cfe h ARG 100 Cb 0.95 0.03 -0.09 0.00 -0.01 0.00 0.00 29.97 30.85 1cfe h ARG 100 CO 0.86 -0.09 1.06 -1.71 -3.11 0.00 0.00 179.97 176.98 1cfe n ASN 101 N -5.39 6.68 -4.38 -3.80 5.15 -1.26 -4.81 115.26 107.44 1cfe n ASN 101 Ca 0.04 -2.80 -0.21 0.00 -0.60 0.00 0.00 54.58 51.01 1cfe n ASN 101 Cb 0.34 -1.39 -0.10 0.00 -0.53 0.00 0.00 39.78 38.10 1cfe n ASN 101 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1cfe s SER 102 N 1.33 2.91 -0.00 1.20 0.15 -0.88 -4.14 113.70 114.27 1cfe s SER 102 Ca 0.63 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 56.30 1cfe s SER 102 Cb 0.29 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1cfe s SER 102 CO -0.09 -0.07 0.63 1.33 1.20 0.00 0.00 173.24 176.24 1cfe n VAL 103 N -0.28 0.19 -3.71 4.45 0.24 -1.23 -4.90 118.33 113.08 1cfe n VAL 103 Ca -0.08 -0.19 -0.11 0.00 -2.04 0.00 0.00 64.34 61.91 1cfe n VAL 103 Cb 0.59 0.87 -0.12 0.00 -1.47 0.00 0.00 33.84 33.71 1cfe n VAL 103 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1cfe s ARG 104 N -0.20 0.28 -0.06 7.34 0.52 -1.24 -2.18 118.95 123.42 1cfe s ARG 104 Ca 0.00 0.67 -0.12 0.00 -0.52 0.00 0.00 55.73 55.77 1cfe s ARG 104 Cb 0.00 -0.06 0.02 0.00 0.52 0.00 0.00 34.95 35.44 1cfe s ARG 104 CO 0.00 -0.17 0.28 -1.17 0.02 0.00 0.00 175.30 174.26 1cfe s LEU 105 N 1.44 0.95 -0.18 2.53 1.98 -0.94 -3.11 118.68 121.35 1cfe s LEU 105 Ca -0.08 0.28 -0.09 0.00 -2.89 0.00 0.00 54.13 51.34 1cfe s LEU 105 Cb -0.10 1.08 0.07 0.00 0.66 0.00 0.00 46.19 47.90 1cfe s LEU 105 CO -0.10 -0.28 0.41 -0.83 -1.89 0.00 0.00 176.35 173.65 1cfe s GLY 106 N -0.68 -0.33 0.21 7.98 0.00 -0.85 -3.62 107.32 110.04 1cfe s GLY 106 Ca -0.08 1.51 0.09 0.00 0.00 0.00 0.00 44.72 46.24 1cfe s GLY 106 CO 0.02 1.86 -0.06 0.00 0.00 0.00 0.00 173.10 174.93 1cfe s GLY 108 N -3.13 0.59 -0.03 0.00 0.00 -0.47 -4.62 107.32 99.65 1cfe s GLY 108 Ca 0.27 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.85 1cfe s GLY 108 CO 0.17 -1.25 -0.05 -1.60 0.00 0.00 0.00 173.10 170.37 1cfe s ARG 109 N -3.32 0.76 -0.01 2.90 3.52 -1.26 -1.71 118.95 119.83 1cfe s ARG 109 Ca 0.05 -0.16 0.01 0.00 -0.13 0.00 0.00 55.73 55.50 1cfe s ARG 109 Cb 0.03 -0.75 0.00 0.00 -1.56 0.00 0.00 34.95 32.67 1cfe s ARG 109 CO -0.05 -0.00 -0.03 0.00 -0.81 0.00 0.00 175.30 174.41 1cfe s ALA 110 N 0.56 0.26 0.64 6.12 0.00 -0.18 -4.89 121.76 124.27 1cfe s ALA 110 Ca -0.07 -0.08 -0.14 0.00 0.00 0.00 0.00 51.96 51.66 1cfe s ALA 110 Cb -0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1cfe s ALA 110 CO 0.00 0.04 1.07 0.50 0.00 0.00 0.00 175.76 177.38 1cfe s ARG 111 N 0.11 3.04 0.20 0.00 3.52 -1.26 -0.42 118.95 124.14 1cfe s ARG 111 Ca -0.01 1.21 -0.01 0.00 -0.13 0.00 0.00 55.73 56.79 1cfe s ARG 111 Cb -0.03 -1.99 -0.04 0.00 -1.56 0.00 0.00 34.95 31.32 1cfe s ARG 111 CO -0.00 -1.03 0.13 0.00 -0.81 0.00 0.00 175.30 173.58 1cfe n ASN 113 N -0.26 0.00 -0.03 0.00 4.13 -0.70 -3.89 115.26 114.51 1cfe n ASN 113 Ca 0.02 0.44 -0.14 0.00 1.68 0.00 0.00 54.58 56.57 1cfe n ASN 113 Cb 0.66 -0.11 -0.11 0.00 -1.54 0.00 0.00 39.78 38.68 1cfe n ASN 113 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1cfe h ASN 114 N 0.00 0.15 -0.12 6.41 -0.00 -1.83 -3.38 115.58 116.81 1cfe h ASN 114 Ca 0.00 -0.71 -0.04 0.00 -0.00 0.00 0.00 56.30 55.54 1cfe h ASN 114 Cb 0.00 -0.04 -0.03 0.00 -0.00 0.00 0.00 38.32 38.25 1cfe h ASN 114 CO 0.00 0.84 0.06 0.61 -0.00 0.00 0.00 177.43 178.94 1cfe n GLY 115 N 0.86 2.10 7.00 9.14 0.00 -1.26 -4.95 105.19 118.08 1cfe n GLY 115 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1cfe n GLY 115 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1cfe n TRP 116 N 0.19 0.00 -2.70 1.61 8.01 -1.25 -3.12 117.44 120.18 1cfe n TRP 116 Ca 0.07 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.84 1cfe n TRP 116 Cb 0.56 0.06 -0.03 0.00 -2.01 0.00 0.00 31.31 29.89 1cfe n TRP 116 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.69 175.10 1cfe s TRP 117 N 0.00 2.79 0.34 -5.99 0.52 -1.26 -0.19 118.94 115.15 1cfe s TRP 117 Ca 0.00 -1.13 -0.16 0.00 0.02 0.00 0.00 56.10 54.82 1cfe s TRP 117 Cb 0.00 -4.55 -0.09 0.00 -1.15 0.00 0.00 33.47 27.68 1cfe s TRP 117 CO 0.00 -1.76 0.78 0.12 0.02 0.00 0.00 176.95 176.11 1cfe s PHE 118 N 4.01 3.37 0.03 -1.98 5.36 0.44 -1.84 117.98 127.37 1cfe s PHE 118 Ca 0.42 1.30 0.05 0.00 -0.96 0.00 0.00 56.93 57.74 1cfe s PHE 118 Cb -0.01 -2.60 -0.02 0.00 -0.34 0.00 0.00 43.02 40.05 1cfe s PHE 118 CO -0.08 0.06 -0.16 0.42 -1.46 0.00 0.00 175.22 174.00 1cfe s ILE 119 N -2.01 1.26 0.01 3.12 1.01 0.10 -1.01 121.20 123.68 1cfe s ILE 119 Ca 0.55 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 60.28 1cfe s ILE 119 Cb -0.10 -1.11 -0.01 0.00 0.01 0.00 0.00 42.46 41.25 1cfe s ILE 119 CO 0.17 0.13 -0.11 -0.44 0.00 0.00 0.00 174.94 174.68 1cfe s SER 120 N -0.96 1.32 -0.08 3.58 0.01 -0.69 -0.60 113.70 116.27 1cfe s SER 120 Ca 0.04 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1cfe s SER 120 Cb -0.08 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.06 1cfe s SER 120 CO 0.01 0.09 -0.06 0.00 0.41 0.00 0.00 173.24 173.69 1cfe s ASN 122 N 1.43 5.15 0.03 0.00 3.84 0.22 -0.57 114.94 125.03 1cfe s ASN 122 Ca -0.02 -0.19 0.02 0.00 0.21 0.00 0.00 52.86 52.87 1cfe s ASN 122 Cb -0.13 -1.25 -0.02 0.00 -0.55 0.00 0.00 41.25 39.30 1cfe s ASN 122 CO -0.04 0.13 -0.06 -0.31 -2.79 0.00 0.00 177.10 174.04 1cfe s TYR 123 N -1.51 0.52 0.04 0.43 1.51 -0.92 -2.00 117.35 115.41 1cfe s TYR 123 Ca 0.28 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.98 1cfe s TYR 123 Cb -0.11 -0.32 -0.02 0.00 -0.11 0.00 0.00 41.96 41.40 1cfe s TYR 123 CO 0.20 -0.08 -0.11 0.34 -1.11 0.00 0.00 175.55 174.78 1cfe s ASP 124 N -1.19 1.31 1.24 2.29 -1.08 -1.18 -4.12 116.67 113.95 1cfe s ASP 124 Ca -0.08 -0.45 -0.14 0.00 -0.52 0.00 0.00 52.55 51.35 1cfe s ASP 124 Cb -0.08 -0.06 0.32 0.00 -1.46 0.00 0.00 42.92 41.64 1cfe s ASP 124 CO 0.00 -0.04 1.00 -2.16 0.52 0.00 0.00 175.17 174.49 1cfe s PRO 125 N -1.18 -1.52 0.16 4.34 0.04 -1.26 -3.54 135.00 132.04 1cfe s PRO 125 Ca -0.02 0.73 -0.33 0.00 0.04 0.00 0.00 61.00 61.42 1cfe s PRO 125 Cb -0.08 -1.49 -0.13 0.00 0.04 0.00 0.00 34.50 32.84 1cfe s PRO 125 CO 0.01 -4.10 1.67 1.33 0.04 0.00 0.00 177.00 175.95 1cfe n VAL 126 N -5.17 0.06 -4.20 -0.36 0.24 -1.26 -4.81 118.33 102.84 1cfe n VAL 126 Ca 0.04 -0.01 -0.23 0.00 -2.04 0.00 0.00 64.34 62.10 1cfe n VAL 126 Cb 0.55 -1.76 -0.06 0.00 -1.47 0.00 0.00 33.84 31.10 1cfe n VAL 126 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1cfe s GLY 127 N 1.31 1.65 -1.80 7.63 0.00 -1.26 -4.32 107.32 110.53 1cfe s GLY 127 Ca 0.78 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.88 1cfe s GLY 127 CO 0.36 -1.65 0.00 0.70 0.00 0.00 0.00 173.10 172.51 1cfe n ASN 128 N -1.03 -5.43 -4.98 1.64 3.02 -1.26 -0.44 115.26 106.77 1cfe n ASN 128 Ca -0.06 0.18 -0.20 0.00 -0.03 0.00 0.00 54.58 54.47 1cfe n ASN 128 Cb 0.59 -4.53 0.02 0.00 -0.61 0.00 0.00 39.78 35.25 1cfe n ASN 128 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1cfe s TRP 129 N -2.86 2.91 0.35 3.10 -0.11 -1.26 -4.74 118.94 116.34 1cfe s TRP 129 Ca 0.00 -0.13 -0.03 0.00 1.22 0.00 0.00 56.10 57.16 1cfe s TRP 129 Cb 0.00 -2.52 0.08 0.00 -1.50 0.00 0.00 33.47 29.53 1cfe s TRP 129 CO 0.00 -0.60 0.48 1.51 -4.62 0.00 0.00 176.95 173.73 1cfe n ILE 130 N -2.09 0.00 0.00 5.86 3.06 -1.26 -4.51 119.36 120.41 1cfe n ILE 130 Ca 0.07 -0.55 0.00 0.00 -2.50 0.00 0.00 62.75 59.77 1cfe n ILE 130 Cb 0.59 -1.46 0.00 0.00 0.54 0.00 0.00 39.64 39.31 1cfe n ILE 130 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1cfe n GLY 131 N 1.59 1.89 3.86 4.50 0.00 -1.26 -4.90 105.19 110.86 1cfe n GLY 131 Ca 0.07 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1cfe n GLY 131 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cfe s GLN 132 N 0.00 3.91 0.39 1.61 -0.21 -1.26 -5.07 119.66 119.02 1cfe s GLN 132 Ca 0.00 0.71 -0.15 0.00 0.02 0.00 0.00 55.36 55.94 1cfe s GLN 132 Cb 0.00 -2.30 -0.08 0.00 1.00 0.00 0.00 33.01 31.63 1cfe s GLN 132 CO 0.00 -0.08 0.81 1.03 -2.12 0.00 0.00 175.29 174.93 1cfe s ARG 133 N -3.72 3.97 0.41 2.91 0.52 -1.26 -4.94 118.95 116.84 1cfe s ARG 133 Ca 0.55 0.72 0.22 0.00 -0.52 0.00 0.00 55.73 56.70 1cfe s ARG 133 Cb -0.10 -2.34 0.77 0.00 0.52 0.00 0.00 34.95 33.80 1cfe s ARG 133 CO 0.27 0.02 1.76 -1.00 0.02 0.00 0.00 175.30 176.38 1cfe h PRO 134 N 1.75 0.00 0.00 3.54 0.13 -1.93 -3.41 132.00 132.07 1cfe h PRO 134 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1cfe h PRO 134 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1cfe h PRO 134 CO 0.64 0.27 0.00 2.48 -0.23 0.00 0.00 178.00 181.16